3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide

C15H18ClFN2O2 — CID 64891746

IUPAC3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide
SMILESNC1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-12-2-1-3-13(17)11(12)8-19(10-4-5-10)14(20)15(18)6-7-21-9-15/h1-3,10H,4-9,18H2
InChIKeyFIBTXZOXOGCSOZ-UHFFFAOYSA-N
MW312.77 g/mol
LogP2.09
Rot. Bonds4

About 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide

3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide (PubChem CID 64891746) has the molecular formula C15H18ClFN2O2 and a molecular weight of 312.77 g/mol. Its IUPAC name is 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide
PubChem CID64891746
Molecular FormulaC15H18ClFN2O2
Molecular Weight312.77 g/mol
Exact Mass312.10
IUPAC Name3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide
SMILESNC1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CCOC1
InChIInChI=1S/C15H18ClFN2O2/c16-12-2-1-3-13(17)11(12)8-19(10-4-5-10)14(20)15(18)6-7-21-9-15/h1-3,10H,4-9,18H2
InChIKeyFIBTXZOXOGCSOZ-UHFFFAOYSA-N
XLogP2.09
TPSA55.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.77
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide?
The IUPAC name of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide (CID 64891746) is 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide.
What is the SMILES notation for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide?
The canonical SMILES for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide is NC1(C(=O)N(Cc2c(F)cccc2Cl)C2CC2)CCOC1.
What is the InChIKey of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide?
The InChIKey is FIBTXZOXOGCSOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2O2/c16-12-2-1-3-13(17)11(12)8-19(10-4-5-10)14(20)15(18)6-7-21-9-15/h1-3,10H,4-9,18H2.
What are the key properties of 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide?
3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide has a molecular weight of 312.77 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyloxolane-3-carboxamide is sourced from PubChem (CID 64891746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).